==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-00 1GA8 . COMPND 2 MOLECULE: GALACTOSYL TRANSFERASE LGTC; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR K.PERSSON,H.D.LY,M.DIEKELMANN,W.W.WAKARCHUK,S.G.WITHERS, . 278 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 1 0 2 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 23 0, 0.0 31,-2.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 157.0 48.8 44.9 64.7 2 2 A D E -a 32 0A 14 96,-0.3 98,-2.7 29,-0.2 2,-0.4 -0.894 360.0-169.4-104.8 118.5 45.9 42.6 63.9 3 3 A I E -ab 33 100A 0 29,-2.4 31,-2.5 -2,-0.6 2,-0.4 -0.871 4.5-157.3-107.6 138.0 42.7 44.2 62.7 4 4 A V E +ab 34 101A 0 96,-2.6 98,-2.6 -2,-0.4 2,-0.3 -0.957 13.9 172.5-118.9 134.9 39.4 42.4 62.3 5 5 A F E -a 35 0A 0 29,-1.9 31,-3.1 -2,-0.4 2,-0.4 -0.883 16.4-152.6-129.8 161.1 36.5 43.3 60.1 6 6 A A E +a 36 0A 9 96,-0.3 2,-0.3 -2,-0.3 98,-0.2 -0.997 26.9 155.3-136.1 131.6 33.3 41.4 59.3 7 7 A A E -a 37 0A 2 29,-2.3 31,-2.4 -2,-0.4 33,-0.3 -0.997 31.6-146.1-157.5 153.1 31.4 41.8 56.1 8 8 A D > - 0 0 29 -2,-0.3 3,-0.9 29,-0.2 4,-0.2 -0.463 52.7 -85.3-104.3-175.3 29.0 40.1 53.6 9 9 A D G > S+ 0 0 62 1,-0.2 3,-1.6 29,-0.2 4,-0.4 0.871 125.4 63.8 -61.9 -36.2 29.2 40.6 49.9 10 10 A N G 3 S+ 0 0 94 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.790 108.6 41.4 -57.1 -31.3 27.1 43.7 50.0 11 11 A Y G <> S+ 0 0 44 -3,-0.9 4,-2.6 1,-0.2 -1,-0.3 0.262 80.5 106.4-102.9 11.9 29.8 45.5 52.1 12 12 A A H <> S+ 0 0 0 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.894 82.5 47.3 -57.9 -43.9 32.9 44.2 50.2 13 13 A A H > S+ 0 0 1 -4,-0.4 4,-1.6 -3,-0.2 -1,-0.2 0.909 114.1 46.6 -65.4 -42.2 33.6 47.6 48.6 14 14 A Y H > S+ 0 0 16 1,-0.2 4,-2.7 -4,-0.2 5,-0.2 0.860 107.6 57.7 -66.1 -38.7 33.2 49.5 51.9 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.915 104.8 52.5 -56.6 -44.5 35.4 47.0 53.6 16 16 A C H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.921 110.5 45.9 -58.5 -47.8 38.1 47.8 51.1 17 17 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.915 113.9 48.4 -64.0 -43.7 37.9 51.6 51.8 18 18 A A H X S+ 0 0 1 -4,-2.7 4,-1.5 2,-0.2 90,-0.3 0.927 111.5 50.5 -62.7 -44.0 37.8 51.1 55.6 19 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.912 108.9 51.2 -61.2 -43.2 40.8 48.8 55.4 20 20 A K H X S+ 0 0 42 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.855 103.6 58.1 -65.6 -32.2 42.8 51.2 53.3 21 21 A S H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.895 105.9 51.5 -64.1 -34.1 42.1 54.0 55.8 22 22 A V H X S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.944 111.4 45.5 -66.2 -46.0 43.8 51.8 58.4 23 23 A E H >< S+ 0 0 12 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.944 110.2 54.3 -61.8 -46.2 46.8 51.3 56.3 24 24 A A H 3< S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 107.3 51.8 -55.8 -36.5 47.0 55.0 55.5 25 25 A A H 3< S+ 0 0 21 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.534 112.1 46.5 -79.8 -7.1 47.0 55.8 59.2 26 26 A H X< + 0 0 3 -3,-1.7 3,-1.6 -4,-0.5 -1,-0.2 -0.518 61.0 166.3-134.9 69.1 49.9 53.4 60.0 27 27 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.721 82.8 32.9 -55.7 -25.5 52.7 54.0 57.4 28 28 A D T 3 S+ 0 0 155 2,-0.1 2,-0.4 -5,-0.0 -5,-0.0 0.033 100.2 89.5-124.4 29.9 55.2 52.0 59.4 29 29 A T S < S- 0 0 49 -3,-1.6 2,-0.4 -6,-0.2 -3,-0.1 -0.981 76.6-118.5-126.1 137.6 53.2 49.3 61.1 30 30 A E - 0 0 128 -2,-0.4 2,-0.6 1,-0.0 -2,-0.1 -0.612 29.7-158.6 -71.2 127.2 52.4 45.9 59.7 31 31 A I - 0 0 1 -2,-0.4 2,-0.7 -29,-0.1 -29,-0.2 -0.930 6.8-168.7-114.4 109.4 48.7 45.6 59.4 32 32 A R E -a 2 0A 101 -31,-2.5 -29,-2.4 -2,-0.6 2,-0.4 -0.880 11.3-154.5-100.4 111.7 47.4 42.1 59.3 33 33 A F E -ac 3 59A 2 25,-3.2 27,-2.2 -2,-0.7 2,-0.5 -0.712 10.5-170.0 -88.9 135.1 43.7 42.1 58.3 34 34 A H E -ac 4 60A 1 -31,-2.5 -29,-1.9 -2,-0.4 2,-0.6 -0.972 11.2-162.4-124.6 110.1 41.4 39.2 59.4 35 35 A V E -ac 5 61A 0 25,-3.0 27,-4.0 -2,-0.5 2,-1.2 -0.855 17.1-143.4-103.8 122.0 38.0 39.3 57.7 36 36 A L E -ac 6 62A 0 -31,-3.1 -29,-2.3 -2,-0.6 2,-0.8 -0.736 29.8-153.6 -80.3 103.1 35.1 37.4 59.0 37 37 A D E +ac 7 63A 4 25,-2.9 27,-2.5 -2,-1.2 -29,-0.2 -0.750 24.7 177.7 -90.6 107.6 33.7 36.5 55.6 38 38 A A S S- 0 0 15 -31,-2.4 -29,-0.2 -2,-0.8 -30,-0.1 0.089 80.2 -39.4 -96.4 23.7 29.9 35.9 55.5 39 39 A G S S+ 0 0 51 -32,-0.2 2,-0.3 -31,-0.2 -30,-0.2 0.648 75.2 166.5 129.4 26.6 29.7 35.3 51.8 40 40 A I - 0 0 11 -33,-0.3 -1,-0.1 -32,-0.1 -31,-0.1 -0.530 40.3-114.4 -71.9 131.5 32.0 37.7 49.9 41 41 A S > - 0 0 46 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.166 20.0-113.5 -62.8 159.6 32.4 36.6 46.2 42 42 A E H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.892 119.2 53.3 -60.8 -39.0 35.7 35.4 44.9 43 43 A A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 109.3 47.2 -64.0 -42.1 35.8 38.5 42.7 44 44 A N H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.823 110.3 52.1 -71.9 -28.9 35.2 40.8 45.6 45 45 A R H X S+ 0 0 76 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.927 111.2 47.1 -71.4 -41.5 37.8 39.2 47.7 46 46 A A H X S+ 0 0 48 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.906 112.4 51.0 -64.4 -40.4 40.4 39.6 45.0 47 47 A A H X S+ 0 0 9 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.915 111.0 47.1 -63.5 -44.4 39.3 43.2 44.4 48 48 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.962 115.2 46.1 -61.5 -50.3 39.7 44.0 48.1 49 49 A A H >< S+ 0 0 19 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.895 106.1 59.6 -59.5 -43.0 43.1 42.3 48.3 50 50 A A H 3< S+ 0 0 41 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.4 51.2 -59.1 -26.9 44.3 44.0 45.1 51 51 A N T << S+ 0 0 5 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.507 97.9 83.2 -90.0 -5.3 43.7 47.5 46.6 52 52 A L S X S- 0 0 10 -3,-1.6 3,-1.7 -4,-0.4 4,-0.3 -0.442 94.5 -67.2 -95.8 172.8 45.7 46.8 49.8 53 53 A R G >>>S+ 0 0 91 1,-0.3 3,-1.4 2,-0.2 4,-1.1 -0.234 119.2 11.9 -58.6 138.8 49.4 47.0 50.6 54 54 A G G 345S- 0 0 82 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.631 133.1 -65.7 69.2 13.3 51.6 44.4 48.9 55 55 A G G <45S- 0 0 51 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.705 101.0 -51.0 80.2 18.9 48.7 43.5 46.7 56 56 A G T X45S+ 0 0 14 -3,-1.4 3,-0.7 -4,-0.3 -2,-0.2 0.847 91.1 144.2 86.0 36.4 46.8 42.2 49.7 57 57 A G T 3<5S+ 0 0 68 -4,-1.1 -3,-0.1 1,-0.2 -2,-0.1 0.694 70.5 55.7 -78.6 -18.7 49.5 39.9 51.2 58 58 A N T 3 - 0 0 85 -2,-0.4 3,-2.2 1,-0.2 4,-0.3 -0.812 14.9-160.7 -93.8 105.4 28.2 30.7 58.4 66 66 A P G > S+ 0 0 45 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.828 87.2 68.9 -54.1 -31.7 25.7 33.5 58.7 67 67 A E G > S+ 0 0 149 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.730 78.7 81.5 -62.5 -20.2 22.9 31.0 59.6 68 68 A D G < S+ 0 0 61 -3,-2.2 -1,-0.3 1,-0.3 3,-0.3 0.831 99.3 38.0 -53.7 -33.0 24.7 30.4 62.9 69 69 A F G X S+ 0 0 1 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.3 0.111 79.6 121.1-107.6 21.9 23.1 33.5 64.3 70 70 A A T < S+ 0 0 63 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.815 70.6 55.8 -54.9 -37.3 19.7 33.1 62.6 71 71 A G T 3 S+ 0 0 73 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.615 88.1 98.8 -74.8 -10.5 17.7 33.0 65.9 72 72 A F S < S- 0 0 24 -3,-1.7 12,-0.1 1,-0.1 116,-0.0 -0.478 86.5 -90.6 -79.4 146.1 19.1 36.4 67.0 73 73 A P - 0 0 32 0, 0.0 115,-0.1 0, 0.0 -1,-0.1 -0.200 36.0-177.3 -57.5 140.9 17.0 39.6 66.6 74 74 A L + 0 0 87 1,-0.1 7,-0.1 113,-0.1 -2,-0.0 -0.588 30.7 135.0-139.9 71.5 17.5 41.6 63.4 75 75 A N + 0 0 97 -2,-0.1 2,-0.8 110,-0.1 -1,-0.1 0.714 44.4 89.2 -92.8 -27.7 15.3 44.7 63.8 76 76 A I > - 0 0 43 1,-0.2 3,-1.9 -3,-0.1 -1,-0.0 -0.655 67.5-152.0 -79.9 110.3 17.7 47.5 62.6 77 77 A R T 3 S+ 0 0 248 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.807 88.8 54.7 -52.5 -41.7 17.1 47.7 58.8 78 78 A H T 3 S+ 0 0 63 2,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.529 98.0 82.5 -75.7 0.1 20.5 48.9 57.7 79 79 A I < - 0 0 44 -3,-1.9 2,-0.2 2,-0.0 -3,-0.0 -0.890 64.2-154.4-112.8 131.6 22.2 46.0 59.5 80 80 A S > - 0 0 49 -2,-0.5 3,-2.2 1,-0.1 4,-0.1 -0.520 37.2 -99.2 -94.5 165.4 22.6 42.5 58.1 81 81 A I G > S+ 0 0 41 1,-0.3 3,-2.1 -2,-0.2 4,-0.3 0.701 111.3 81.3 -56.6 -21.3 23.0 39.3 60.2 82 82 A T G > S+ 0 0 8 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.729 71.1 82.2 -59.2 -19.3 26.8 39.4 59.7 83 83 A T G < S+ 0 0 18 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.714 87.9 54.7 -59.5 -19.3 26.8 41.9 62.6 84 84 A Y G X S+ 0 0 0 -3,-2.1 3,-1.9 1,-0.2 4,-0.3 0.580 79.5 90.8 -91.2 -10.1 26.8 39.0 65.0 85 85 A A G X S+ 0 0 0 -3,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.808 72.8 71.3 -56.1 -31.0 29.8 37.1 63.6 86 86 A R G > S+ 0 0 6 -4,-0.4 3,-1.9 -3,-0.3 -1,-0.3 0.781 81.8 73.7 -58.2 -25.9 32.1 39.0 66.0 87 87 A L G < S+ 0 0 0 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.783 96.9 48.1 -59.8 -27.6 30.6 36.9 68.9 88 88 A K G X> S+ 0 0 26 -3,-1.9 3,-2.1 -4,-0.3 4,-1.8 0.138 72.5 121.5 -99.8 21.3 32.6 33.8 67.7 89 89 A L H <> S+ 0 0 0 -3,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.833 70.1 59.6 -52.7 -36.3 35.9 35.7 67.4 90 90 A G H 34 S+ 0 0 17 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.736 110.2 42.7 -65.4 -22.5 37.5 33.2 69.8 91 91 A E H <4 S+ 0 0 121 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.735 114.5 50.1 -91.7 -30.0 36.6 30.4 67.4 92 92 A Y H < S+ 0 0 37 -4,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.740 108.4 49.1 -82.5 -27.8 37.6 32.2 64.2 93 93 A I < + 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -59,-0.0 -0.956 46.8 158.2-124.4 120.5 41.1 33.5 65.2 94 94 A A + 0 0 84 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.0 0.731 68.8 65.5-105.0 -31.6 43.8 31.3 66.7 95 95 A D S S+ 0 0 84 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 0.419 92.9 69.2 -76.0 0.7 47.0 33.2 65.9 96 96 A C - 0 0 4 1,-0.1 3,-0.1 65,-0.0 -3,-0.1 -0.966 46.5-171.9-129.4 137.8 46.3 36.3 68.0 97 97 A D S S+ 0 0 82 -2,-0.4 65,-1.8 1,-0.3 64,-0.5 0.670 90.1 27.4 -89.6 -20.6 46.1 37.0 71.7 98 98 A K + 0 0 57 62,-0.2 2,-0.3 63,-0.2 -1,-0.3 -0.998 67.6 175.7-143.4 136.0 44.8 40.5 71.0 99 99 A V E - D 0 159A 0 60,-1.4 60,-3.3 -2,-0.3 2,-0.6 -0.974 25.4-135.7-138.4 152.8 42.8 41.9 68.0 100 100 A L E -bD 3 158A 0 -98,-2.7 -96,-2.6 -2,-0.3 2,-0.4 -0.942 23.6-157.2-112.6 110.6 41.3 45.2 67.2 101 101 A Y E -bD 4 157A 4 56,-3.3 56,-2.6 -2,-0.6 2,-0.4 -0.727 11.8-176.3 -90.3 133.5 37.8 44.9 65.8 102 102 A L E - D 0 156A 0 -98,-2.6 -96,-0.3 -2,-0.4 54,-0.2 -0.976 24.1-124.8-130.9 143.7 36.4 47.6 63.6 103 103 A D - 0 0 29 52,-2.0 3,-0.4 -2,-0.4 -96,-0.1 -0.325 30.3-115.5 -73.9 168.7 32.9 48.0 62.0 104 104 A I S S+ 0 0 11 1,-0.2 2,-1.1 -98,-0.2 -86,-0.1 0.804 107.9 69.6 -78.2 -30.7 32.9 48.6 58.3 105 105 A D S S+ 0 0 12 2,-0.0 137,-2.5 -87,-0.0 2,-0.3 -0.226 80.6 106.6 -83.9 45.0 31.4 52.1 58.6 106 106 A V E -G 241 0B 2 -2,-1.1 2,-0.4 -3,-0.4 135,-0.2 -0.906 51.6-160.0-123.7 153.5 34.6 53.6 60.2 107 107 A L E -G 240 0B 3 133,-2.4 133,-2.7 -2,-0.3 2,-0.5 -0.951 17.3-143.2-133.6 108.1 37.2 55.9 58.8 108 108 A V E +G 239 0B 6 -2,-0.4 131,-0.3 -90,-0.3 -83,-0.1 -0.649 25.6 170.3 -76.5 122.4 40.5 55.8 60.7 109 109 A R + 0 0 67 129,-2.5 2,-0.3 -2,-0.5 130,-0.2 0.504 61.2 22.9-110.0 -11.7 41.9 59.4 60.8 110 110 A D S S- 0 0 60 128,-1.6 -1,-0.2 126,-0.1 -85,-0.1 -0.964 99.1 -62.1-150.4 164.1 44.9 59.0 63.2 111 111 A S - 0 0 36 -2,-0.3 4,-0.2 1,-0.1 -85,-0.1 -0.137 29.8-157.7 -51.4 140.0 47.2 56.3 64.6 112 112 A L > + 0 0 0 1,-0.2 4,-3.1 -90,-0.1 3,-0.5 0.372 67.1 104.0 -98.4 0.1 45.5 53.4 66.6 113 113 A T H > S+ 0 0 45 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.893 74.9 54.4 -50.7 -48.0 48.8 52.6 68.4 114 114 A P H 4 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.903 114.8 41.9 -55.3 -41.2 47.8 54.2 71.7 115 115 A L H >4 S+ 0 0 5 -3,-0.5 3,-2.0 2,-0.2 -2,-0.2 0.962 114.9 49.9 -68.9 -52.0 44.6 52.1 71.7 116 116 A W H 3< S+ 0 0 48 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.867 108.7 53.6 -53.6 -40.1 46.5 49.0 70.5 117 117 A D T 3< S+ 0 0 112 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.509 81.6 120.0 -76.4 -4.3 49.1 49.4 73.2 118 118 A T < - 0 0 47 -3,-2.0 2,-0.7 -4,-0.2 -3,-0.0 -0.415 66.1-128.9 -65.1 132.0 46.5 49.6 76.0 119 119 A D - 0 0 137 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.743 20.8-171.2 -85.5 116.1 46.9 46.9 78.6 120 120 A L > - 0 0 7 -2,-0.7 3,-2.5 1,-0.2 -1,-0.1 0.583 13.9-169.6 -82.3 -12.9 43.5 45.1 79.0 121 121 A G T 3 - 0 0 43 1,-0.3 -1,-0.2 3,-0.1 80,-0.0 -0.313 69.1 -27.3 56.8-133.6 44.6 43.0 82.0 122 122 A D T 3 S+ 0 0 116 41,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.214 107.4 122.9 -99.7 18.6 41.9 40.4 82.7 123 123 A N < - 0 0 48 -3,-2.5 77,-0.2 1,-0.1 40,-0.1 -0.406 69.1-126.8 -72.9 154.5 39.2 42.6 81.2 124 124 A W S S- 0 0 37 75,-2.5 36,-1.7 72,-0.3 2,-0.3 0.837 77.8 -30.6 -71.5 -35.4 37.2 41.1 78.3 125 125 A L E -Ef 159 200A 0 74,-0.8 76,-2.8 34,-0.2 2,-0.4 -0.980 53.9-110.8-170.3 173.4 37.9 44.1 76.0 126 126 A G E +Ef 158 201A 4 32,-2.4 32,-2.6 -2,-0.3 2,-0.3 -0.967 43.8 155.6-118.8 137.0 38.5 47.8 75.6 127 127 A A E -Ef 157 202A 2 74,-2.2 76,-2.2 -2,-0.4 2,-0.2 -0.987 39.6-105.0-157.5 160.9 35.9 50.0 74.1 128 128 A S E - f 0 203A 1 28,-0.6 25,-2.3 25,-0.3 2,-0.1 -0.631 43.3-101.3 -91.7 152.2 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N S < S+ 0 0 0 -3,-1.8 2,-0.9 -4,-0.1 -1,-0.3 -0.396 74.7 176.8-164.1 72.5 35.1 55.9 68.3 209 209 A F B +h 240 0B 11 30,-2.9 32,-2.4 -3,-0.4 -3,-0.1 -0.756 14.2 175.6 -90.5 102.2 33.9 59.3 67.4 210 210 A X >> - 0 0 7 -2,-0.9 4,-2.0 30,-0.2 3,-0.8 -0.447 48.0 -88.8-102.5 173.1 30.2 59.0 66.4 211 211 A P H 3> S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 127.0 52.8 -49.6 -40.3 27.5 61.5 65.5 212 212 A T H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.863 105.7 53.3 -65.8 -33.8 26.5 61.9 69.1 213 213 A N H <4 S+ 0 0 4 -3,-0.8 -1,-0.2 2,-0.2 20,-0.1 0.891 110.8 48.3 -65.9 -39.2 30.1 62.7 70.1 214 214 A Y H >< S+ 0 0 130 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.943 111.9 47.3 -65.2 -48.7 30.1 65.4 67.4 215 215 A A H 3< S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.869 97.5 71.5 -60.9 -36.2 26.8 66.8 68.6 216 216 A F T 3< 0 0 91 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.506 360.0 360.0 -59.6 -0.5 28.1 66.8 72.2 217 217 A X < 0 0 156 -3,-1.7 -2,-0.2 -5,-0.1 -3,-0.1 0.563 360.0 360.0-121.6 360.0 30.3 69.6 71.0 218 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 219 222 A A 0 0 120 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 118.5 25.5 68.1 79.5 220 223 A S - 0 0 39 1,-0.1 8,-0.1 2,-0.1 7,-0.0 -0.376 360.0-134.7 -66.9 143.0 27.4 64.9 80.6 221 224 A R S S+ 0 0 83 -2,-0.1 2,-0.3 6,-0.1 -1,-0.1 0.728 86.7 34.1 -72.0 -21.4 25.2 62.1 81.8 222 225 A H - 0 0 21 2,-0.1 -2,-0.1 1,-0.1 -1,-0.1 -0.953 58.6-149.2-135.9 154.8 27.5 61.4 84.8 223 226 A T + 0 0 133 -2,-0.3 5,-0.1 4,-0.1 -1,-0.1 0.615 60.6 125.4 -93.2 -16.2 29.7 63.4 87.2 224 227 A D > - 0 0 50 1,-0.2 4,-2.5 3,-0.1 5,-0.2 -0.207 60.9-141.8 -46.2 116.4 32.0 60.5 87.5 225 228 A P H > S+ 0 0 99 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.817 100.3 52.7 -54.4 -35.1 35.5 61.9 86.6 226 229 A L H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 109.3 48.9 -67.3 -46.0 36.5 58.7 84.8 227 230 A Y H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 113.9 47.1 -56.7 -45.4 33.3 58.8 82.7 228 231 A R H X S+ 0 0 135 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.872 110.2 52.3 -66.2 -37.6 34.0 62.5 81.9 229 232 A D H < S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.925 114.0 42.7 -64.1 -44.0 37.7 61.8 81.1 230 233 A R H < S+ 0 0 65 -4,-2.4 -25,-2.6 1,-0.2 -2,-0.2 0.848 115.0 48.0 -72.9 -36.0 36.7 59.0 78.6 231 234 A T H < S+ 0 0 6 -4,-2.2 2,-1.0 -5,-0.2 -1,-0.2 0.651 90.3 87.8 -82.6 -14.3 33.8 60.8 77.0 232 235 A N S < S- 0 0 96 -4,-1.2 -26,-0.2 -5,-0.2 2,-0.2 -0.760 85.1-132.5 -84.7 107.8 35.8 64.0 76.5 233 236 A T - 0 0 17 -2,-1.0 2,-0.8 -28,-0.2 -2,-0.1 -0.440 9.6-144.4 -65.3 127.6 37.4 63.4 73.1 234 237 A V - 0 0 80 -2,-0.2 -1,-0.1 -4,-0.1 -30,-0.0 -0.868 44.4 -87.2 -94.3 113.6 41.1 64.2 73.1 235 238 A X S S+ 0 0 118 -2,-0.8 2,-0.1 2,-0.1 -29,-0.1 -0.261 98.0 55.9 -65.9 153.8 41.8 65.7 69.7 236 239 A P S S- 0 0 71 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.553 83.8-120.2 -81.1 163.8 42.5 64.7 67.0 237 240 A V - 0 0 5 1,-0.2 3,-0.1 -2,-0.1 -30,-0.1 -0.455 26.7-172.8 -64.4 134.4 39.8 62.3 66.2 238 241 A A S S+ 0 0 0 -32,-2.2 -129,-2.5 1,-0.3 -128,-1.6 0.754 71.3 25.6 -99.0 -34.8 41.4 58.9 65.6 239 242 A V E -G 108 0B 0 -33,-2.1 -30,-2.9 -131,-0.3 2,-0.5 -0.969 63.0-158.6-137.0 119.1 38.3 57.0 64.4 240 243 A S E -Gh 107 209B 2 -133,-2.7 -133,-2.4 -2,-0.4 2,-0.5 -0.844 16.1-167.7 -91.8 130.3 35.2 58.4 62.7 241 244 A H E -G 106 0B 3 -32,-2.4 2,-1.0 -2,-0.5 -135,-0.2 -0.964 12.7-162.5-125.4 114.4 32.3 56.0 63.2 242 245 A Y + 0 0 6 -137,-2.5 -32,-0.1 -2,-0.5 -136,-0.1 -0.342 23.7 172.8 -92.4 55.8 29.2 56.5 61.2 243 246 A C + 0 0 44 -2,-1.0 3,-0.3 2,-0.1 -2,-0.1 -0.219 42.2 43.2 -62.7 151.4 26.8 54.4 63.2 244 247 A G S S- 0 0 24 1,-0.2 -2,-0.0 -33,-0.0 -168,-0.0 -0.354 110.1 -55.1 102.9 175.5 23.1 54.5 62.3 245 248 A P S S+ 0 0 98 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.696 110.2 87.4 -65.4 -21.8 21.4 54.6 58.8 246 249 A A + 0 0 61 -3,-0.3 6,-0.0 4,-0.0 7,-0.0 -0.702 61.3 179.0 -86.3 103.9 23.3 57.6 57.5 247 250 A K > - 0 0 6 -2,-1.0 3,-1.9 4,-0.1 -4,-0.1 -0.735 39.7-120.6-105.7 154.0 26.5 56.2 55.9 248 251 A P T 3 S+ 0 0 15 0, 0.0 5,-0.2 0, 0.0 14,-0.2 0.709 111.8 59.2 -63.4 -19.3 29.4 58.1 54.1 249 252 A W T 3 S+ 0 0 25 12,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.403 96.1 79.8 -89.9 1.6 28.8 56.1 51.0 250 253 A H S X S- 0 0 107 -3,-1.9 3,-0.6 1,-0.1 2,-0.1 -0.416 92.1 -79.8 -99.5 179.6 25.2 57.3 50.7 251 254 A R T 3 S+ 0 0 225 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.421 104.9 6.3 -79.0 155.6 23.7 60.5 49.3 252 255 A D T 3 S+ 0 0 159 1,-0.2 2,-0.7 -2,-0.1 -1,-0.2 0.804 74.4 177.1 38.4 49.2 23.6 63.7 51.4 253 256 A C < - 0 0 30 -3,-0.6 -1,-0.2 -5,-0.2 5,-0.1 -0.721 7.7-179.4 -79.5 115.8 25.6 62.3 54.3 254 257 A T + 0 0 137 -2,-0.7 -1,-0.2 -3,-0.1 3,-0.1 0.350 37.4 124.8 -99.0 4.8 26.0 65.3 56.6 255 258 A A S > S- 0 0 27 1,-0.1 3,-1.5 2,-0.1 2,-0.1 -0.344 73.8 -92.3 -64.5 145.5 28.0 63.4 59.1 256 259 A W T 3 S+ 0 0 86 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.333 105.5 9.4 -62.9 134.9 31.4 65.1 60.0 257 260 A G T > S+ 0 0 19 -3,-0.1 3,-1.9 -2,-0.1 4,-0.3 0.489 81.5 133.1 76.3 4.0 34.4 63.9 58.0 258 261 A A T X> + 0 0 11 -3,-1.5 3,-1.8 1,-0.3 4,-0.8 0.790 59.6 71.4 -56.4 -28.7 32.3 61.9 55.5 259 262 A E H 3> S+ 0 0 165 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.697 83.8 68.6 -65.6 -19.2 34.2 63.5 52.5 260 263 A R H <> S+ 0 0 81 -3,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.765 92.7 61.5 -71.2 -21.8 37.3 61.4 53.5 261 264 A F H <> S+ 0 0 10 -3,-1.8 4,-2.9 -4,-0.3 5,-0.2 0.974 107.5 40.1 -65.1 -55.0 35.4 58.3 52.4 262 265 A T H X S+ 0 0 89 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.886 113.1 57.6 -61.7 -36.3 35.0 59.5 48.8 263 266 A E H < S+ 0 0 126 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.893 111.4 41.1 -61.2 -41.1 38.6 60.8 48.9 264 267 A L H >< S+ 0 0 21 -4,-2.0 3,-1.6 2,-0.2 4,-0.5 0.919 111.3 55.6 -72.5 -45.6 39.8 57.3 49.8 265 268 A A H >< S+ 0 0 9 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.884 106.0 53.0 -54.2 -40.1 37.5 55.5 47.4 266 269 A G T 3< S+ 0 0 71 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.652 103.0 58.2 -71.7 -14.2 39.0 57.7 44.6 267 270 A S T < S+ 0 0 53 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.487 78.5 127.8 -92.1 -3.9 42.5 56.7 45.5 268 271 A L < - 0 0 17 -3,-1.2 3,-0.1 -4,-0.5 -217,-0.1 -0.260 55.1-146.8 -58.2 137.3 41.7 53.0 45.0 269 272 A T S S+ 0 0 110 1,-0.2 2,-0.4 -218,-0.2 -1,-0.1 0.921 85.8 25.8 -68.4 -48.4 44.1 51.1 42.7 270 273 A T - 0 0 62 -223,-0.2 -1,-0.2 -222,-0.1 -219,-0.1 -0.981 64.2-178.7-124.1 127.4 41.5 48.8 41.3 271 274 A V - 0 0 64 -2,-0.4 5,-0.1 -3,-0.1 -258,-0.0 -0.894 21.4-140.0-129.4 103.0 37.8 49.5 41.1 272 275 A P >> - 0 0 38 0, 0.0 3,-2.9 0, 0.0 4,-0.8 -0.255 23.5-117.5 -58.9 143.5 35.5 46.8 39.6 273 276 A E G >4 S+ 0 0 129 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.877 117.7 57.8 -49.0 -38.9 32.7 48.0 37.3 274 277 A E G 34 S+ 0 0 161 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.585 101.5 54.7 -72.0 -8.6 30.3 46.6 39.9 275 278 A W G <> S+ 0 0 5 -3,-2.9 4,-1.9 2,-0.1 -1,-0.2 0.556 84.5 86.0 -96.2 -13.1 31.8 48.8 42.6 276 279 A R T << S+ 0 0 169 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.865 88.1 51.6 -56.3 -38.3 31.2 52.0 40.6 277 280 A G T 4 S+ 0 0 74 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.991 113.6 38.5 -63.5 -62.9 27.6 52.2 41.9 278 281 A K T 4 0 0 60 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.676 360.0 360.0 -65.3 -18.2 28.3 52.0 45.7 279 282 A L < 0 0 60 -4,-1.9 -1,-0.3 -14,-0.1 -2,-0.1 -0.324 360.0 360.0-109.6 360.0 31.4 54.1 45.5